6-Bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one

C₁₀H₁₀BrNOCAS 158326-84-2240.10 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₁₀H₁₀BrNO
Molar mass: 240.10 g/mol
Exact mass: 238.9946 Da
logP: 2.68Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

158326-84-2

SMILES

CC1(C2=C(C=C(C=C2)Br)NC1=O)C

InChIKey

DBAOYNGOQUASPE-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)

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Names and synonyms

1 names

6-Bromo-3,3-dimethylindolin-2-one

Work with 6-Bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromoisatin6326-79-040 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-940 % similar 6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-039 % similar 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-638 % similar 6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene27452-17-138 % similar 5-Bromo-2-oxindole20870-78-437 % similar 5-Bromoisatin87-48-937 % similar Methyl 2-(4-bromophenyl)-2-methylpropanoate154825-97-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Acetyl-5-bromoindoline22190-38-1 5-Bromo-1H-indole-3-ethanol32774-29-1 1-(4-Bromophenyl)pyrrolidin-2-one7661-32-7 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-96-9

Elsewhere

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